11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

C115H69N7S2 — CID 163973476

About 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (PubChem CID 163973476) has the molecular formula C115H69N7S2 and a molecular weight of 1613.00 g/mol. Its IUPAC name is 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].

Molecular Properties

• Compound Name: 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
• PubChem CID: 163973476
• Molecular Formula: C115H69N7S2
• Molecular Weight: 1613.00 g/mol
• Exact Mass: 1611.51
• IUPAC Name: 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7cc8c(cc7S6)c(-c6ccccc6)nc6ccccc68)c6ccccc6-c6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)Sc2ccc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cc2C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C59H36N4S.C56H33N3S/c1-2-14-39(15-3-1)58-46-36-57-50(35-45(46)44-18-6-9-21-51(44)63-58)59(47-19-7-4-16-42(47)43-17-5-8-20-48(43)59)49-32-40(28-29-56(49)64-57)37-24-26-38(27-25-37)41-33-54(52-22-10-12-30-60-52)62-55(34-41)53-23-11-13-31-61-53;1-3-13-34(14-4-1)48-28-25-36-23-24-37-26-29-49(58-55(37)54(36)57-48)38-27-30-51-46(31-38)56(44-20-10-7-17-39(44)40-18-8-11-21-45(40)56)47-32-42-41-19-9-12-22-50(41)59-53(35-15-5-2-6-16-35)43(42)33-52(47)60-51/h1-36H;1-33H
• InChIKey: SSBFKRHCGUWALF-UHFFFAOYSA-N
• XLogP: 29.05
• TPSA: 90.23 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1613.00
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

The IUPAC name of 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (CID 163973476) is 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].

What is the SMILES notation for 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

The canonical SMILES for 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7cc8c(cc7S6)c(-c6ccccc6)nc6ccccc68)c6ccccc6-c6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)Sc2ccc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cc2C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

The InChIKey is SSBFKRHCGUWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4S.C56H33N3S/c1-2-14-39(15-3-1)58-46-36-57-50(35-45(46)44-18-6-9-21-51(44)63-58)59(47-19-7-4-16-42(47)43-17-5-8-20-48(43)59)49-32-40(28-29-56(49)64-57)37-24-26-38(27-25-37)41-33-54(52-22-10-12-30-60-52)62-55(34-41)53-23-11-13-31-61-53;1-3-13-34(14-4-1)48-28-25-36-23-24-37-26-29-49(58-55(37)54(36)57-48)38-27-30-51-46(31-38)56(44-20-10-7-17-39(44)40-18-8-11-21-45(40)56)47-32-42-41-19-9-12-22-50(41)59-53(35-15-5-2-6-16-35)43(42)33-52(47)60-51/h1-36H;1-33H.

What are the key properties of 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] has a molecular weight of 1613.00 g/mol, XLogP of 29.05, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11'-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-11'-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is sourced from PubChem (CID 163973476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).